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Structure

Ammonium 4-[benzylamino]benzenesulfonate

CAS
94249-07-7
Catalog Number
ACM94249077
Category
Other Products
Molecular Weight
280.342740 [g/mol]
Molecular Formula
C13H13NO3S.H3N

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Specification

Synonyms
Ammonium 4-(benzylamino)benzenesulphonate, 94249-07-7, AMMONIUM 4-[BENZYLAMINO]BENZENESULPHONATE, AC1MIFX2, CTK5H6115, EINECS 304-383-8, AG-H-88948, azanium 4-(benzylamino)benzenesulfonate
IUPAC Name
azanium;4-(benzylamino)benzenesulfonate
InChI Key
HPDYXWAVGFFSEJ-UHFFFAOYSA-N
Boiling Point
520.9ºC at 760 mmHg
Flash Point
268.8ºC
Exact Mass
280.08800
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of Ammonium 4-[benzylamino]benzenesulfonate?

The molecular formula is C13H16N2O3S.

When was the compound created and modified?

It was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is azanium;4-(benzylamino)benzenesulfonate.

What is the molecular weight of Ammonium 4-[benzylamino]benzenesulfonate?

The molecular weight is 280.34 g/mol.

How many hydrogen bond donor counts does the compound have?

It has 2 hydrogen bond donor counts.

What is the exact mass of the compound?

The exact mass is 280.08816355 g/mol.

How many hydrogen bond acceptor counts does the compound have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 78.6 Ų.

How many rotatable bond counts does the compound have?

It has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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